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Source code for analyses and figure reproduction in "Genetics, energetics and allostery during a billion years of hydrophobic protein core evolution", Escobedo et. al 2024

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lehner-lab/combinatorialcores

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Genetics, energetics and allostery during a billion years of hydrophobic protein core evolution

Welcome to the GitHub repository for the following publication: Genetics, energetics and allostery during a billion years of hydrophobic protein core evolution by Escobedo, Voigt, Faure and Lehner 2024 https://www.biorxiv.org/content/10.1101/2024.05.11.593672v1

Here you'll find the code to reproduce the figures and results from the computational analyses described in the paper. All required files can be found in the related Zenodo entry.

The code is organized in Jupyter Notebooks, one per figure in the paper. To execute the code, please paste your path to the Zenodo files folder in the first notebook box.

Dependencies:

  • biopython 1.78
  • jupyterlab 4.0.3
  • matplotlib 3.7.1
  • networkx 2.7.1
  • numpy 1.24.4
  • pandas 1.5.3
  • python 3.11.4
  • scikit-learn 1.2.2
  • scipy 1.10.1
  • seaborn 0.12.2
  • tqdm 4.66.1

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Source code for analyses and figure reproduction in "Genetics, energetics and allostery during a billion years of hydrophobic protein core evolution", Escobedo et. al 2024

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